Package chemaxon.descriptors

Class MDArrayReader

java.lang.Object
chemaxon.descriptors.MDReader
chemaxon.descriptors.MDArrayReader
@PublicApi public class MDArrayReader extends MDReader

Reads MolecularDescriptors from an array. Intended for use when chemical descriptors are read more than once.

Typical usage:

 MDArrayReader r = new MDArrayReader( sampleDescriptorSet, cdFileReader );

After that all methods of MDReaders can be called, the number of MDSets is known, reading is fast, and can be reset without problems.

Since:
JChem 2.0

  • Constructor Details

    • MDArrayReader

      public MDArrayReader(MDSet[] elements)
      Constructor from standard array (to ease use of methods requiring MDReader input).
      Parameters:
      elements - Array of MDSets to be put into the reader.

    • MDArrayReader

      public MDArrayReader(MDReader reader) throws MDReaderException
      Constructor from another MDReader.
      Parameters:
      reader - MDReader to be copied into an array reader.
      Throws:
      MDReaderException - if the reader encounter an unreadable record.

  • Method Details